Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:16638 - 3-methylbutanal
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-methylbutanal
ChEBI ID
CHEBI:16638
Definition
A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20124, CHEBI:11854, CHEBI:1595
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formulae
C5H10O
C5H10O
Net Charge
0
Average Mass
86.13230
Monoisotopic Mass
86.07316
InChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChIKey
YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES
CC(C)CC=O
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Roles Classification
Biological Role
(s):
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (
Saccharomyces cerevisiae
).
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methylbutanal (
CHEBI:16638
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
3-methylbutanal (
CHEBI:16638
)
has role
flavouring agent (
CHEBI:35617
)
3-methylbutanal (
CHEBI:16638
)
has role
plant metabolite (
CHEBI:76924
)
3-methylbutanal (
CHEBI:16638
)
has role
volatile oil component (
CHEBI:27311
)
3-methylbutanal (
CHEBI:16638
)
is a
methylbutanal (
CHEBI:25282
)
IUPAC Name
3-methylbutanal
Synonyms
Sources
3-Methylbutanal
KEGG COMPOUND
3-methylbutanal
UniProt
3-methylbutyraldehyde
ChEBI
β-Methylbutanal
NIST Chemistry WebBook
iso-C4H9CHO
NIST Chemistry WebBook
Isoamyl aldehyde
ChemIDplus
Isopentaldehyde
ChemIDplus
Isovaleral
ChemIDplus
Isovaleraldehyde
KEGG COMPOUND
Isovalerylaldehyde
ChemIDplus
Manual Xrefs
Databases
C07329
KEGG COMPOUND
CPD-7031
MetaCyc
HMDB0006478
HMDB
Isovaleraldehyde
Wikipedia
View more database links
Registry Numbers
Types
Sources
590-86-3
CAS Registry Number
KEGG COMPOUND
590-86-3
CAS Registry Number
ChemIDplus
773692
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23182362
PubMed citation
Europe PMC
24295708
PubMed citation
Europe PMC
Last Modified
07 February 2017